LAMMPS (24 Mar 2022)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task
# DPD Fluid

variable T    equal 1.0
variable rc   equal 1.0
variable rcD  equal 1.2

units            lj
boundary     p p p
atom_style       atomic
dimension    3
newton       on
comm_modify  vel yes

### create box and configuration
variable     L equal 5.0
lattice      fcc 3.0
Lattice spacing in x,y,z = 1.1006424 1.1006424 1.1006424
region       simBox block 0 ${L} 0 ${L} 0 ${L}
region       simBox block 0 5 0 ${L} 0 ${L}
region       simBox block 0 5 0 5 0 ${L}
region       simBox block 0 5 0 5 0 5
create_box   2 simBox
Created orthogonal box = (0 0 0) to (5.5032121 5.5032121 5.5032121)
  1 by 1 by 1 MPI processor grid
create_atoms 1 random 100 12456 simBox
Created 100 atoms
  using lattice units in orthogonal box = (0 0 0) to (5.5032121 5.5032121 5.5032121)
  create_atoms CPU = 0.000 seconds
create_atoms 2 random 100 13245 simBox
Created 100 atoms
  using lattice units in orthogonal box = (0 0 0) to (5.5032121 5.5032121 5.5032121)
  create_atoms CPU = 0.000 seconds
mass         1 1.0
mass         2 2.0
###

pair_style       dpd/ext ${T} ${rc} 3854262
pair_style       dpd/ext 1 ${rc} 3854262
pair_style       dpd/ext 1 1 3854262

pair_coeff   1 1 25.0 4.5 4.53 0.5 0.53   1.2 #${rcD}
pair_coeff   1 2 25.1 4.51 4.54 0.51 0.54 1.21 #${rcD}
pair_coeff   2 2 25.2 4.52 4.55 0.52 0.55 1.22 #${rcD}

timestep     0.01
run_style    verlet

velocity all create ${T} 68768932
velocity all create 1 68768932

thermo_style custom step time temp press
thermo       100

fix 1 all    nve

run          5000
  generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 1.52
  ghost atom cutoff = 1.52
  binsize = 0.76, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair dpd/ext, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.083 | 3.083 | 3.083 Mbytes
   Step          Time           Temp          Press     
         0   0              1              10.864186    
       100   1              1.1314376      7.1955963    
       200   2              1.0058948      8.4574538    
       300   3              0.93292241     7.7033353    
       400   4              0.93599378     7.9649888    
       500   5              1.0390423      7.9498546    
       600   6              1.0750333      7.3594973    
       700   7              1.119325       7.1843859    
       800   8              0.96727219     6.8327896    
       900   9              0.98826001     8.1974994    
      1000   10             1.105819       7.8830702    
      1100   11             0.99559202     7.8295372    
      1200   12             0.9210428      8.2045593    
      1300   13             0.96628584     8.6531905    
      1400   14             1.1808689      7.7659964    
      1500   15             0.96208743     7.9977415    
      1600   16             1.0080123      7.6254557    
      1700   17             0.96910957     8.3643075    
      1800   18             1.0562621      7.5966268    
      1900   19             0.93109173     7.7944606    
      2000   20             1.1126085      9.3753501    
      2100   21             1.1328553      7.6293793    
      2200   22             0.8964042      7.5985061    
      2300   23             1.0043044      8.0016943    
      2400   24             1.0319521      8.1249684    
      2500   25             0.95913468     7.2383318    
      2600   26             0.99480311     7.6491295    
      2700   27             0.9735191      7.5004628    
      2800   28             0.96145308     8.222045     
      2900   29             1.0131071      6.6390842    
      3000   30             0.99463836     7.0147693    
      3100   31             0.96803993     8.2738796    
      3200   32             0.94066026     9.476403     
      3300   33             0.97401823     6.409563     
      3400   34             1.0548493      7.7301555    
      3500   35             0.98567796     8.2949868    
      3600   36             0.86621746     7.4759028    
      3700   37             0.94934175     8.1189998    
      3800   38             0.9626774      7.7986715    
      3900   39             0.95728518     6.8669836    
      4000   40             1.0866412      7.41281      
      4100   41             0.98873564     6.4612262    
      4200   42             0.9109925      7.1806331    
      4300   43             1.0344723      8.4617679    
      4400   44             0.98920584     7.3622901    
      4500   45             0.99386139     6.8002442    
      4600   46             1.0947487      6.8868352    
      4700   47             0.98789482     7.8428621    
      4800   48             1.0035907      8.3878628    
      4900   49             1.0336467      8.1592349    
      5000   50             1.0870964      8.217988     
Loop time of 0.907286 on 1 procs for 5000 steps with 200 atoms

Performance: 4761453.941 tau/day, 5510.942 timesteps/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.79672    | 0.79672    | 0.79672    |   0.0 | 87.81
Neigh   | 0.066416   | 0.066416   | 0.066416   |   0.0 |  7.32
Comm    | 0.029801   | 0.029801   | 0.029801   |   0.0 |  3.28
Output  | 0.0010415  | 0.0010415  | 0.0010415  |   0.0 |  0.11
Modify  | 0.0078915  | 0.0078915  | 0.0078915  |   0.0 |  0.87
Other   |            | 0.005414   |            |       |  0.60

Nlocal:            200 ave         200 max         200 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:            563 ave         563 max         563 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:           1624 ave        1624 max        1624 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1624
Ave neighs/atom = 8.12
Neighbor list builds = 500
Dangerous builds = 500

Total wall time: 0:00:00
